3-methyltetradecyl(dioctyl)phosphane

C31H65P — CID 174745116

IUPAC3-methyltetradecyl(dioctyl)phosphane
SMILESCCCCCCCCCCCC(C)CCP(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C31H65P/c1-5-8-11-14-17-18-19-20-23-26-31(4)27-30-32(28-24-21-15-12-9-6-2)29-25-22-16-13-10-7-3/h31H,5-30H2,1-4H3
InChIKeyRZKBHMOZBLYROL-UHFFFAOYSA-N
MW468.84 g/mol
LogP12.14
Rot. Bonds27

About 3-methyltetradecyl(dioctyl)phosphane

3-methyltetradecyl(dioctyl)phosphane (PubChem CID 174745116) has the molecular formula C31H65P and a molecular weight of 468.84 g/mol. Its IUPAC name is 3-methyltetradecyl(dioctyl)phosphane.

Molecular Properties

Compound Name3-methyltetradecyl(dioctyl)phosphane
PubChem CID174745116
Molecular FormulaC31H65P
Molecular Weight468.84 g/mol
Exact Mass468.48
IUPAC Name3-methyltetradecyl(dioctyl)phosphane
SMILESCCCCCCCCCCCC(C)CCP(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C31H65P/c1-5-8-11-14-17-18-19-20-23-26-31(4)27-30-32(28-24-21-15-12-9-6-2)29-25-22-16-13-10-7-3/h31H,5-30H2,1-4H3
InChIKeyRZKBHMOZBLYROL-UHFFFAOYSA-N
XLogP12.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.84
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dibutyl(3-methyltetradecyl)phosphane
CID 174745432
10,16-dimethyldotriacontane
CID 91748795
6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
15-methylhexatriacontane
CID 86002594
6-methylheptacosane
CID 22223776
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379

Frequently Asked Questions

What is the IUPAC name of 3-methyltetradecyl(dioctyl)phosphane?
The IUPAC name of 3-methyltetradecyl(dioctyl)phosphane (CID 174745116) is 3-methyltetradecyl(dioctyl)phosphane.
What is the SMILES notation for 3-methyltetradecyl(dioctyl)phosphane?
The canonical SMILES for 3-methyltetradecyl(dioctyl)phosphane is CCCCCCCCCCCC(C)CCP(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 3-methyltetradecyl(dioctyl)phosphane?
The InChIKey is RZKBHMOZBLYROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H65P/c1-5-8-11-14-17-18-19-20-23-26-31(4)27-30-32(28-24-21-15-12-9-6-2)29-25-22-16-13-10-7-3/h31H,5-30H2,1-4H3.
What are the key properties of 3-methyltetradecyl(dioctyl)phosphane?
3-methyltetradecyl(dioctyl)phosphane has a molecular weight of 468.84 g/mol, XLogP of 12.14, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltetradecyl(dioctyl)phosphane is sourced from PubChem (CID 174745116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).